2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one

C17H23N3O3 — CID 47073559

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one
SMILESCC1CN(CC(O)Cn2ncc3ccccc3c2=O)CC(C)O1
InChIInChI=1S/C17H23N3O3/c1-12-8-19(9-13(2)23-12)10-15(21)11-20-17(22)16-6-4-3-5-14(16)7-18-20/h3-7,12-13,15,21H,8-11H2,1-2H3
InChIKeyMBNRMGZISLNHAU-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.87
Rot. Bonds4

About 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one

2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one (PubChem CID 47073559) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one
PubChem CID47073559
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one
SMILESCC1CN(CC(O)Cn2ncc3ccccc3c2=O)CC(C)O1
InChIInChI=1S/C17H23N3O3/c1-12-8-19(9-13(2)23-12)10-15(21)11-20-17(22)16-6-4-3-5-14(16)7-18-20/h3-7,12-13,15,21H,8-11H2,1-2H3
InChIKeyMBNRMGZISLNHAU-UHFFFAOYSA-N
XLogP0.87
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one (CID 47073559) is 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one is CC1CN(CC(O)Cn2ncc3ccccc3c2=O)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one?
The InChIKey is MBNRMGZISLNHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-8-19(9-13(2)23-12)10-15(21)11-20-17(22)16-6-4-3-5-14(16)7-18-20/h3-7,12-13,15,21H,8-11H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one?
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one has a molecular weight of 317.39 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one is sourced from PubChem (CID 47073559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).